Molecules
US10381110B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Dec 31, 2015 |
| Grant date | Aug 13, 2019 |
| Priority date | — |
| Expiry date | Apr 5, 2037 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/70
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A method for computational drug design using an evolutionary algorithm, comprises evaluating virtual molecules according to vector distance (VD) to at least one achievement objective that defines a desired ideal molecule. In one method the invention comprises defining a set of n achievement objectives (OA1-n), where n is at least one; defining a population (PG=0) of at least one molecule; selecting an initial population (Pparent) of at least one molecule (I1-In) from the population (PG=0); and evaluating members (I1-In) of the initial population (Pparent) against at least one of the n achievement objectives (OA1-x), where x is from 1 to n.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.